4-tert-butyl-6-cyclopentyl-1,3,5-triazin-2-amine

C12H20N4 — CID 63867152

IUPAC4-tert-butyl-6-cyclopentyl-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(C2CCCC2)n1
InChIInChI=1S/C12H20N4/c1-12(2,3)10-14-9(15-11(13)16-10)8-6-4-5-7-8/h8H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyKPROFODWMMGZDO-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.41
Rot. Bonds1

About 4-tert-butyl-6-cyclopentyl-1,3,5-triazin-2-amine

4-tert-butyl-6-cyclopentyl-1,3,5-triazin-2-amine (PubChem CID 63867152) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-tert-butyl-6-cyclopentyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-6-cyclopentyl-1,3,5-triazin-2-amine
PubChem CID63867152
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-tert-butyl-6-cyclopentyl-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(C2CCCC2)n1
InChIInChI=1S/C12H20N4/c1-12(2,3)10-14-9(15-11(13)16-10)8-6-4-5-7-8/h8H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyKPROFODWMMGZDO-UHFFFAOYSA-N
XLogP2.41
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-cyclopentyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-tert-butyl-6-cyclopentyl-1,3,5-triazin-2-amine (CID 63867152) is 4-tert-butyl-6-cyclopentyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-tert-butyl-6-cyclopentyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-tert-butyl-6-cyclopentyl-1,3,5-triazin-2-amine is CC(C)(C)c1nc(N)nc(C2CCCC2)n1.
What is the InChIKey of 4-tert-butyl-6-cyclopentyl-1,3,5-triazin-2-amine?
The InChIKey is KPROFODWMMGZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-12(2,3)10-14-9(15-11(13)16-10)8-6-4-5-7-8/h8H,4-7H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-tert-butyl-6-cyclopentyl-1,3,5-triazin-2-amine?
4-tert-butyl-6-cyclopentyl-1,3,5-triazin-2-amine has a molecular weight of 220.32 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-cyclopentyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63867152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).